Research workbench
Pyruvate formate-lyase (E.COLI) in complex with pyruvate and CoA
Analyse Pyruvate formate-lyase (E.COLI) in complex with pyruvate and CoA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1H16
- Type
- protein
- Length
- 759 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formate acetyltransferase 1
- EC
- 2.3.1.54
- UniProt
- P09373
- Ligands
- DTL, COA, PYR, NA, MG
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Formate acetyltransferase 1 (EC 2.3.1.54) | protein | 759 | 47% helix, 13% strand | P09373 |
Ligands and binding sites
- DTL · L-treitol · ligand · 2 copies · chains A
- COA · Coenzyme A · ligand · chains A
- PYR · Pyruvic acid · ligand · chains A
- NA · Sodium ion · metal · 7 copies · chains A
- MG · Magnesium ion · metal · chains A
- PG4 · Tetraethylene glycol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 69 | 0.70 | 0.95 | 25 | empty |
| 2 | 84 | 0.69 | 0.94 | 22 | DTL |
| 3 | 198 | 0.50 | 0.76 | 25 | NA |
| 4 | 72 | 0.38 | 0.78 | 21 | empty |
| 5 | 92 | 0.37 | 0.76 | 22 | empty |
Compared structures
- 1H16 · Pyruvate Formate-Lyase (E.coli) in complex with Pyruvate and CoA · the same entry in another collection · chain A against A, TM-score 1.00
- P09373 · AlphaFold monomer V2.0 prediction for formate acetyltransferase 1 (P09373) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P09373
- Elsewhere: RCSB PDB 1H16 · PDBe 1H16 · UniProt P09373
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